SCHEMBL20565953

SCHEMBL20565953

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OCC(O)C(=O)OC(C)(C)C)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ DYRK1A Q13627 2/20 0.39
▸ SUCNR1 Q9BXA5 8/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ DRD2 P14416 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20565954 1.00 CA12 (0.41) CA12CA1CA2CA9DYRK1A
SCHEMBL19027482 1.00 CA12 (0.41) CA12CA1CA2CA9DYRK1A
SCHEMBL20566583 0.93 SUCNR1 (0.42) CA12CA1CA2CA9DYRK1A
SCHEMBL20566580 0.93 SUCNR1 (0.42) CA12CA1CA2CA9DYRK1A
SCHEMBL29359603 0.87 STK17B (0.38) CA12CA1CA2CA9DYRK1A
SCHEMBL18991647 0.87 STK17B (0.38) CA12CA1CA2CA9DYRK1A
SCHEMBL29357839 0.87 FEN1 (0.41) CA12CA1CA2CA9DYRK1A
SCHEMBL18991645 0.87 STK17B (0.38) CA12CA1CA2CA9DYRK1A
SCHEMBL23838022 0.87 MAPT (0.41) CA12CA1CA2CA9DYRK1A
SCHEMBL22013230 0.87 MAPT (0.41) CA12CA1CA2CA9DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 — — EP disclosed
EP-3978472-A1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-04-06 — — EP disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 — — US disclosed
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 — — EP disclosed
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-11-19 — — US disclosed
US-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2018-11-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS BMX, BTK, ABCB11 CA12 1831/4885CA1 4321/4885CA2 2012/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX CA12 1543/4885CA1 4211/4885CA2 1605/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX CA12 1428/4885CA1 4160/4885CA2 1445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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